CID 2878932

314042-75-6

Structural Information

Molecular Formula
C28H24Cl2N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)C5=CC=CC=C5
InChI
InChI=1S/C28H24Cl2N2O3S/c1-19-7-11-24(12-8-19)36(34,35)32(22-5-3-2-4-6-22)18-23(33)17-31-27-13-9-20(29)15-25(27)26-16-21(30)10-14-28(26)31/h2-16,23,33H,17-18H2,1H3
InChIKey
QFOXQLJDOLBHAR-UHFFFAOYSA-N
Compound name
N-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

538.08844 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.09572 226.7
[M+Na]+ 561.07766 243.9
[M+NH4]+ 556.12226 234.8
[M+K]+ 577.05160 233.3
[M-H]- 537.08116 233.5
[M+Na-2H]- 559.06311 235.7
[M]+ 538.08789 232.5
[M]- 538.08899 232.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe